3-(3-acetamidoanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide

C22H30N4O2 — CID 109041180

IUPAC3-(3-acetamidoanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide
SMILESCCN(CC)c1ccc(NC(=O)CCNc2cccc(NC(C)=O)c2)c(C)c1
InChIInChI=1S/C22H30N4O2/c1-5-26(6-2)20-10-11-21(16(3)14-20)25-22(28)12-13-23-18-8-7-9-19(15-18)24-17(4)27/h7-11,14-15,23H,5-6,12-13H2,1-4H3,(H,24,27)(H,25,28)
InChIKeyYTJDMAJUJOLTSP-UHFFFAOYSA-N
MW382.51 g/mol
LogP4.24
Rot. Bonds9

About 3-(3-acetamidoanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide

3-(3-acetamidoanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide (PubChem CID 109041180) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 3-(3-acetamidoanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide.

Molecular Properties

Compound Name3-(3-acetamidoanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide
PubChem CID109041180
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name3-(3-acetamidoanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide
SMILESCCN(CC)c1ccc(NC(=O)CCNc2cccc(NC(C)=O)c2)c(C)c1
InChIInChI=1S/C22H30N4O2/c1-5-26(6-2)20-10-11-21(16(3)14-20)25-22(28)12-13-23-18-8-7-9-19(15-18)24-17(4)27/h7-11,14-15,23H,5-6,12-13H2,1-4H3,(H,24,27)(H,25,28)
InChIKeyYTJDMAJUJOLTSP-UHFFFAOYSA-N
XLogP4.24
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(diethylamino)-2-methylphenyl]-3-(3-fluoroanilino)propanamide
CID 109042083
N-[3-[[4-(diethylamino)-2-methylphenyl]carbamoylamino]phenyl]acetamide
CID 108884218
N-[3-[[4-(diethylamino)-2-methylphenyl]carbamoylamino]phenyl]acetamide chloride
CID 108884217
3-[4-(diethylamino)-2-methylanilino]-N-(2,3-dimethylphenyl)propanamide
CID 109036004
N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 837078
N-[4-(diethylamino)-2-methylphenyl]-3-(2-methoxyanilino)propanamide
CID 109039466
methyl 4-[[3-[4-(diethylamino)-2-methylanilino]-3-oxopropyl]amino]benzoate
CID 109041546
N-[4-(diethylamino)-2-methylphenyl]-2-(3,4-dimethylanilino)acetamide
CID 109007443
N-(4-chlorophenyl)-3-[4-(diethylamino)-2-methylanilino]propanamide
CID 109038169
3-(3-acetamidoanilino)-N-[4-(dimethylamino)phenyl]propanamide
CID 109041146
N-[4-(diethylamino)-2-methylphenyl]-3-[(2-methylphenyl)methylamino]propanamide
CID 109019401
3-(N-acetyl-2,3-dimethylanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide
CID 113125142

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetamidoanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide?
The IUPAC name of 3-(3-acetamidoanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide (CID 109041180) is 3-(3-acetamidoanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide.
What is the SMILES notation for 3-(3-acetamidoanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide?
The canonical SMILES for 3-(3-acetamidoanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide is CCN(CC)c1ccc(NC(=O)CCNc2cccc(NC(C)=O)c2)c(C)c1.
What is the InChIKey of 3-(3-acetamidoanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide?
The InChIKey is YTJDMAJUJOLTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-5-26(6-2)20-10-11-21(16(3)14-20)25-22(28)12-13-23-18-8-7-9-19(15-18)24-17(4)27/h7-11,14-15,23H,5-6,12-13H2,1-4H3,(H,24,27)(H,25,28).
What are the key properties of 3-(3-acetamidoanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide?
3-(3-acetamidoanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide has a molecular weight of 382.51 g/mol, XLogP of 4.24, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetamidoanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide is sourced from PubChem (CID 109041180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).